==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 29-OCT-08 3F2F . COMPND 2 MOLECULE: ALKYLMERCURY LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.LAFRANCE-VANASSE,M.LEFEBVRE,P.DI LELLO,J.SYGUSCH, . 405 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 21.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 0 0 3 2 2 3 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 6 3 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 160 0, 0.0 2,-0.7 0, 0.0 184,-0.0 0.000 360.0 360.0 360.0 1.5 0.8 17.9 41.8 2 2 A K + 0 0 167 1,-0.1 4,-0.2 2,-0.0 0, 0.0 -0.681 360.0 175.3 -71.1 114.0 -1.1 15.4 43.9 3 3 A L >> + 0 0 32 -2,-0.7 4,-2.2 1,-0.1 3,-0.5 0.491 47.3 97.6-107.0 -3.6 0.5 12.1 42.8 4 4 A A H 3> S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.875 82.7 55.3 -54.9 -41.0 -1.1 9.5 45.0 5 5 A P H 3> S+ 0 0 62 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.900 109.0 47.8 -61.2 -38.0 -3.7 8.5 42.3 6 6 A Y H <> S+ 0 0 34 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.928 114.3 45.9 -66.8 -45.4 -0.9 7.8 39.8 7 7 A I H X S+ 0 0 20 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.969 113.8 49.3 -58.3 -54.4 1.1 5.7 42.4 8 8 A L H X S+ 0 0 97 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.906 114.5 42.9 -53.1 -50.3 -1.9 3.8 43.5 9 9 A E H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.847 113.5 51.1 -71.5 -31.9 -3.1 2.9 40.0 10 10 A L H X S+ 0 0 12 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.917 110.6 49.5 -71.1 -40.0 0.4 2.0 38.7 11 11 A L H X S+ 0 0 32 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.913 111.5 49.7 -60.7 -43.5 0.9 -0.3 41.7 12 12 A T H < S+ 0 0 56 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.882 113.6 44.9 -64.4 -39.5 -2.4 -2.0 41.1 13 13 A S H < S+ 0 0 5 -4,-2.0 3,-0.2 1,-0.2 -1,-0.2 0.813 118.6 42.3 -76.7 -30.8 -1.7 -2.5 37.4 14 14 A V H < S+ 0 0 31 -4,-2.2 2,-1.7 1,-0.2 3,-0.3 0.890 106.6 63.4 -79.8 -40.8 1.9 -3.8 38.0 15 15 A N < + 0 0 64 -4,-2.9 -1,-0.2 -5,-0.2 3,-0.1 -0.486 59.5 148.8 -87.6 69.2 1.0 -5.9 41.0 16 16 A R + 0 0 88 -2,-1.7 2,-0.3 -3,-0.2 -1,-0.2 0.859 67.2 1.7 -71.6 -38.3 -1.3 -8.4 39.3 17 17 A T S > S- 0 0 55 -3,-0.3 3,-1.6 39,-0.0 4,-0.3 -0.922 90.5 -74.7-145.8 166.9 -0.5 -11.4 41.5 18 18 A N T 3 S+ 0 0 136 -2,-0.3 -2,-0.0 1,-0.2 38,-0.0 -0.428 115.2 29.9 -67.9 139.5 1.6 -12.4 44.5 19 19 A G T 3> S+ 0 0 8 187,-0.2 4,-2.7 -2,-0.1 -1,-0.2 0.244 84.0 113.9 95.0 -12.3 5.3 -12.7 43.7 20 20 A T H <> S+ 0 0 4 -3,-1.6 4,-3.5 2,-0.2 5,-0.2 0.957 82.5 40.7 -55.1 -53.8 5.2 -10.1 40.9 21 21 A A H > S+ 0 0 4 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.881 114.6 52.9 -62.9 -39.3 7.4 -7.7 42.9 22 22 A D H 4 S+ 0 0 26 184,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 117.5 39.2 -61.9 -35.9 9.7 -10.6 44.0 23 23 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.1 -2,-0.2 0.902 109.3 60.0 -80.7 -42.4 10.0 -11.6 40.4 24 24 A L H X S+ 0 0 12 -4,-3.5 4,-2.9 -5,-0.2 5,-0.2 0.879 100.6 51.8 -57.2 -47.8 10.3 -8.1 38.8 25 25 A V H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.941 113.8 41.5 -61.3 -50.8 13.4 -6.9 40.6 26 26 A P H > S+ 0 0 19 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.859 114.4 54.7 -62.6 -34.1 15.6 -9.9 39.8 27 27 A L H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.947 107.9 48.1 -64.2 -46.9 14.2 -9.9 36.3 28 28 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.888 111.3 51.2 -57.8 -40.9 15.2 -6.3 35.8 29 29 A R H < S+ 0 0 122 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.847 112.8 45.4 -69.9 -34.1 18.6 -6.9 37.1 30 30 A E H >< S+ 0 0 43 -4,-2.0 3,-2.3 1,-0.2 5,-0.5 0.956 112.1 50.0 -71.1 -51.0 19.1 -9.9 34.7 31 31 A L H >< S+ 0 0 1 -4,-3.1 3,-2.6 1,-0.3 -2,-0.2 0.852 98.6 69.6 -54.7 -34.6 17.7 -8.0 31.7 32 32 A A T 3< S+ 0 0 11 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.607 83.6 71.1 -63.1 -10.7 20.1 -5.2 32.6 33 33 A K T < S- 0 0 105 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.481 112.8-118.2 -83.7 -2.9 22.9 -7.4 31.5 34 34 A G S < S+ 0 0 15 -3,-2.6 -2,-0.1 1,-0.2 -3,-0.1 0.604 77.2 101.9 81.2 13.4 21.7 -7.0 27.9 35 35 A R S S- 0 0 129 -5,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 -0.912 80.5 -87.3-126.2 156.4 20.9 -10.6 27.1 36 36 A P - 0 0 55 0, 0.0 2,-0.5 0, 0.0 36,-0.2 -0.262 43.3-134.1 -57.6 146.6 17.6 -12.6 26.9 37 37 A V B -A 71 0A 6 34,-3.0 34,-2.6 4,-0.0 2,-0.2 -0.920 11.2-144.8-113.0 125.3 16.6 -14.1 30.3 38 38 A S > - 0 0 26 -2,-0.5 4,-1.6 32,-0.2 3,-0.3 -0.578 20.3-124.0 -86.5 150.0 15.4 -17.6 30.6 39 39 A R H > S+ 0 0 38 1,-0.2 4,-2.5 -2,-0.2 5,-0.1 0.806 112.0 59.5 -60.6 -28.2 12.7 -18.7 33.0 40 40 A T H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 100.7 53.8 -69.9 -36.8 15.1 -21.2 34.5 41 41 A T H > S+ 0 0 59 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.938 110.8 46.7 -60.2 -46.4 17.6 -18.4 35.4 42 42 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.938 109.2 54.4 -57.7 -50.3 14.8 -16.6 37.2 43 43 A A H X>S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 5,-1.6 0.914 109.6 48.3 -51.6 -46.5 13.8 -19.8 39.0 44 44 A G H <5S+ 0 0 54 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.903 112.4 46.8 -62.0 -45.1 17.3 -20.3 40.2 45 45 A I H <5S+ 0 0 76 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.912 120.6 38.3 -62.8 -43.5 17.7 -16.8 41.5 46 46 A L H <5S- 0 0 27 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.742 102.8-124.6 -81.2 -25.5 14.4 -16.8 43.3 47 47 A D T <5 + 0 0 145 -4,-2.2 -3,-0.2 1,-0.3 -4,-0.1 0.775 67.8 133.6 75.4 30.0 14.4 -20.4 44.6 48 48 A W < - 0 0 41 -5,-1.6 -1,-0.3 -6,-0.3 2,-0.2 -0.776 65.6-105.8-104.9 155.7 11.1 -21.0 42.8 49 49 A P >> - 0 0 85 0, 0.0 3,-1.6 0, 0.0 4,-1.4 -0.601 34.6-118.6 -69.0 142.5 10.0 -23.9 40.6 50 50 A A H 3> S+ 0 0 43 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.775 113.3 67.7 -55.3 -26.8 10.0 -22.7 36.9 51 51 A E H 3> S+ 0 0 153 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.854 99.9 47.5 -60.6 -37.2 6.3 -23.5 37.0 52 52 A R H <> S+ 0 0 109 -3,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.902 109.3 52.4 -73.2 -42.0 5.7 -20.6 39.4 53 53 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.931 109.1 51.3 -56.1 -45.1 7.7 -18.2 37.4 54 54 A A H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.895 107.3 54.0 -59.2 -39.8 5.6 -19.2 34.4 55 55 A A H X S+ 0 0 43 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.937 109.5 46.4 -61.7 -48.5 2.5 -18.5 36.5 56 56 A V H >X S+ 0 0 5 -4,-2.3 3,-1.0 1,-0.2 4,-0.8 0.953 114.1 46.9 -57.7 -53.7 3.6 -15.0 37.4 57 57 A L H >< S+ 0 0 2 -4,-2.4 3,-0.7 1,-0.3 6,-0.3 0.843 100.3 67.2 -59.8 -37.4 4.6 -14.0 33.8 58 58 A E H 3< S+ 0 0 140 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.866 102.2 48.7 -50.8 -37.0 1.4 -15.4 32.4 59 59 A Q H << S+ 0 0 79 -4,-1.0 2,-1.9 -3,-1.0 -1,-0.3 0.768 92.4 81.1 -76.3 -25.9 -0.4 -12.6 34.2 60 60 A A X< - 0 0 15 -4,-0.8 3,-1.9 -3,-0.7 -1,-0.2 -0.558 64.9-178.1 -82.6 79.1 2.0 -10.0 32.8 61 61 A T T 3 S+ 0 0 75 -2,-1.9 -1,-0.2 1,-0.3 92,-0.1 0.727 71.9 55.1 -49.9 -35.2 0.3 -9.7 29.4 62 62 A S T 3 S+ 0 0 15 -3,-0.1 -1,-0.3 222,-0.1 13,-0.1 0.518 74.1 132.4 -86.7 -3.2 2.7 -7.3 27.9 63 63 A T < - 0 0 2 -3,-1.9 2,-0.4 -6,-0.3 11,-0.2 -0.204 50.9-136.8 -52.4 130.8 5.9 -9.3 28.5 64 64 A E E -B 73 0A 14 9,-2.5 8,-2.9 205,-0.1 9,-1.6 -0.790 20.8-172.8 -97.7 134.2 8.1 -9.6 25.4 65 65 A Y E -BC 71 270A 18 205,-0.9 205,-0.8 -2,-0.4 6,-0.2 -0.867 14.9-133.5-120.2 153.9 9.7 -12.8 24.3 66 66 A D > - 0 0 25 4,-2.1 3,-2.2 -2,-0.3 208,-0.1 -0.314 44.3 -82.0 -94.9-174.1 12.2 -13.5 21.5 67 67 A K T 3 S+ 0 0 109 1,-0.3 204,-0.1 2,-0.1 209,-0.0 0.665 130.9 54.6 -65.5 -15.2 12.2 -16.3 18.9 68 68 A D T 3 S- 0 0 99 2,-0.1 -1,-0.3 202,-0.1 3,-0.1 0.403 117.9-111.3 -94.1 -2.2 13.6 -18.7 21.5 69 69 A G S < S+ 0 0 6 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.608 72.3 139.7 79.3 10.7 10.9 -18.0 24.0 70 70 A N - 0 0 46 -32,-0.1 -4,-2.1 1,-0.1 2,-0.3 -0.593 61.8-100.3 -85.1 152.4 13.3 -16.2 26.3 71 71 A I E +AB 37 65A 0 -34,-2.6 -34,-3.0 -2,-0.2 -6,-0.2 -0.553 49.4 157.3 -72.8 125.8 12.2 -13.0 28.1 72 72 A I E + 0 0 22 -8,-2.9 6,-2.4 -2,-0.3 7,-0.4 0.384 61.3 41.2-124.4 -3.6 13.6 -9.9 26.4 73 73 A G E +DB 77 64A 0 -9,-1.6 -9,-2.5 4,-0.2 -1,-0.3 -0.915 41.8 137.2-156.2 124.2 11.1 -7.2 27.7 74 74 A Y S S- 0 0 26 2,-2.7 2,-2.2 -2,-0.3 -11,-0.1 -0.548 97.7 -46.5-159.5 84.4 9.4 -6.3 30.9 75 75 A G S S+ 0 0 6 -13,-0.1 20,-2.1 -2,-0.1 2,-0.4 -0.363 143.2 57.3 78.5 -60.0 9.5 -2.6 31.4 76 76 A L E S- E 0 94A 0 -2,-2.2 -2,-2.7 18,-0.2 2,-0.3 -0.849 83.8-179.6 -94.4 139.3 13.1 -2.7 30.5 77 77 A T E -DE 73 93A 0 16,-2.9 16,-2.3 -2,-0.4 -4,-0.2 -0.982 45.6-145.2-145.8 154.6 13.6 -4.3 27.0 78 78 A L S S+ 0 0 47 -6,-2.4 2,-0.4 -2,-0.3 -5,-0.1 0.514 82.3 93.0 -89.6 -8.3 16.1 -5.4 24.4 79 79 A R S S- 0 0 28 -7,-0.4 -2,-0.1 14,-0.1 188,-0.1 -0.730 92.0 -97.7 -90.4 135.9 13.7 -4.4 21.7 80 80 A E + 0 0 73 -2,-0.4 2,-0.3 13,-0.1 -1,-0.1 -0.189 51.7 161.3 -59.7 133.0 14.1 -0.9 20.4 81 81 A T - 0 0 8 -4,-0.1 14,-0.1 2,-0.1 15,-0.1 -0.803 55.8 -93.1-133.5-178.4 11.9 1.9 21.7 82 82 A S S S+ 0 0 61 -2,-0.3 2,-0.7 1,-0.1 34,-0.3 0.555 108.7 73.5 -70.4 -9.2 12.0 5.7 21.9 83 83 A Y E -F 94 0A 14 11,-0.6 11,-2.2 32,-0.1 2,-0.3 -0.877 69.0-161.0-118.1 100.4 13.7 5.5 25.3 84 84 A V E -FG 93 114A 27 30,-2.8 30,-2.2 -2,-0.7 2,-0.4 -0.659 8.2-175.9 -85.0 136.3 17.3 4.4 25.3 85 85 A F E -FG 92 113A 0 7,-2.4 7,-2.0 -2,-0.3 2,-0.5 -0.942 5.7-169.1-138.0 100.9 18.5 3.2 28.6 86 86 A E E -FG 91 112A 57 26,-2.7 26,-2.4 -2,-0.4 2,-0.5 -0.858 10.5-175.9-108.3 131.3 22.2 2.3 28.8 87 87 A I E > -F 90 0A 2 3,-2.1 3,-2.3 -2,-0.5 2,-0.2 -0.986 66.3 -46.4-121.6 119.5 24.0 0.4 31.6 88 88 A D T 3 S- 0 0 112 -2,-0.5 24,-0.1 22,-0.4 -55,-0.0 -0.425 124.5 -20.6 59.1-122.1 27.7 0.1 31.3 89 89 A D T 3 S+ 0 0 136 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.167 117.6 99.1-101.9 14.7 28.4 -1.1 27.7 90 90 A R E < - F 0 87A 87 -3,-2.3 -3,-2.1 -58,-0.1 2,-0.6 -0.911 60.0-150.6-111.3 124.6 24.9 -2.4 27.1 91 91 A R E + F 0 86A 153 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.815 28.0 162.7 -88.8 120.1 22.2 -0.5 25.3 92 92 A L E - F 0 85A 0 -7,-2.0 -7,-2.4 -2,-0.6 2,-0.3 -0.652 24.2-137.4-120.3-176.3 18.8 -1.4 26.5 93 93 A Y E -EF 77 84A 33 -16,-2.3 -16,-2.9 -9,-0.3 2,-0.3 -0.896 6.3-138.9-138.6 166.3 15.5 0.4 26.1 94 94 A A E -EF 76 83A 0 -11,-2.2 -11,-0.6 -2,-0.3 -18,-0.2 -0.930 19.7-125.6-129.8 157.8 12.5 1.2 28.2 95 95 A W S S- 0 0 14 -20,-2.1 2,-0.3 -2,-0.3 -13,-0.1 0.727 87.6 -4.9 -73.5 -23.0 8.7 1.2 27.6 96 96 A C S > S- 0 0 0 -21,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.986 74.8 -94.2-163.5 166.5 8.2 4.8 28.7 97 97 A A H >> S+ 0 0 0 65,-2.0 4,-0.7 62,-0.3 3,-0.5 0.886 119.7 52.5 -53.6 -45.6 9.8 7.9 30.1 98 98 A L H >> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.2 3,-1.3 0.888 101.8 60.5 -64.2 -38.5 8.8 7.2 33.7 99 99 A D H 3> S+ 0 0 20 1,-0.3 4,-2.5 -3,-0.2 3,-0.3 0.868 98.8 57.9 -51.6 -40.2 10.3 3.7 33.5 100 100 A T H << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.761 108.8 45.2 -67.2 -21.7 13.7 5.2 32.8 101 101 A L H << S+ 0 0 4 -3,-1.3 4,-0.3 -4,-0.7 -1,-0.2 0.729 117.1 44.3 -90.9 -24.6 13.5 7.1 36.1 102 102 A I H >X S+ 0 0 3 -4,-1.4 4,-1.1 -3,-0.3 3,-0.6 0.838 101.6 63.1 -87.8 -40.2 12.3 4.2 38.2 103 103 A F H 3X S+ 0 0 10 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.838 88.7 64.7 -65.6 -39.5 14.6 1.3 37.0 104 104 A P H 3>>S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-1.2 0.880 105.0 48.1 -55.0 -36.8 18.0 2.5 38.1 105 105 A A H <45S+ 0 0 38 -3,-0.6 -2,-0.2 -4,-0.3 -3,-0.1 0.875 114.0 46.3 -70.3 -36.9 16.9 2.3 41.8 106 106 A L H <5S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.2 -3,-0.1 0.866 118.7 41.2 -70.9 -36.8 15.5 -1.2 41.3 107 107 A I H <5S- 0 0 13 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.745 102.4-132.9 -81.0 -25.2 18.6 -2.4 39.4 108 108 A G T <5 + 0 0 44 -4,-1.9 2,-0.3 -5,-0.4 -3,-0.2 0.745 69.6 105.2 74.6 25.3 21.0 -0.6 41.7 109 109 A R S - 0 0 4 5,-3.1 4,-1.9 -2,-0.3 48,-0.3 -0.383 29.4-141.9 -57.3 130.9 11.1 15.4 22.7 118 118 A A T 4 S+ 0 0 27 46,-2.2 265,-0.2 1,-0.2 -1,-0.2 0.715 98.3 41.5 -73.1 -19.4 7.7 14.0 21.7 119 119 A A T 4 S+ 0 0 5 45,-0.2 263,-1.6 262,-0.1 264,-0.7 0.814 132.5 15.4 -93.6 -37.2 6.5 17.5 20.6 120 120 A T T 4 S- 0 0 57 262,-0.2 -2,-0.2 261,-0.2 261,-0.1 0.633 89.5-124.1-115.1 -19.9 9.6 18.9 18.9 121 121 A G < + 0 0 26 -4,-1.9 -3,-0.1 1,-0.3 3,-0.1 0.368 56.6 150.5 87.6 -4.6 11.9 16.0 18.1 122 122 A A - 0 0 36 -6,-0.2 -5,-3.1 1,-0.1 -1,-0.3 -0.335 53.9-104.7 -61.5 138.5 14.8 17.6 20.0 123 123 A P E -H 116 0A 97 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.355 41.4-173.3 -60.5 141.4 17.3 15.1 21.6 124 124 A V E +H 115 0A 3 -9,-2.5 -9,-2.7 -3,-0.1 2,-0.3 -0.983 8.5 163.9-134.3 147.7 16.9 14.9 25.3 125 125 A S E +HI 114 137A 38 12,-2.6 12,-3.0 -2,-0.3 2,-0.3 -0.993 8.5 168.4-157.7 160.0 19.1 13.0 27.8 126 126 A L E -H 113 0A 4 -13,-2.0 -13,-2.8 -2,-0.3 2,-0.5 -0.967 34.0-112.8-162.3 164.1 20.0 12.6 31.5 127 127 A T E -HI 112 134A 26 7,-3.1 7,-2.6 -2,-0.3 2,-0.5 -0.906 30.1-163.9-102.8 128.2 21.9 10.4 33.9 128 128 A V E +HI 111 133A 0 -17,-2.5 -17,-2.6 -2,-0.5 5,-0.2 -0.953 9.1 179.1-119.0 118.6 19.7 8.6 36.4 129 129 A S - 0 0 20 3,-3.2 -24,-0.2 -2,-0.5 -19,-0.1 -0.627 47.7 -97.9-108.3 171.3 21.2 7.0 39.5 130 130 A P S S+ 0 0 50 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 0.775 123.2 28.8 -61.7 -19.7 19.3 5.2 42.2 131 131 A S S S+ 0 0 77 1,-0.2 2,-0.3 -27,-0.1 66,-0.0 0.624 125.7 4.3-115.0 -17.6 19.3 8.4 44.3 132 132 A E - 0 0 92 2,-0.0 -3,-3.2 61,-0.0 2,-0.4 -0.988 58.3-117.1-161.4 163.1 19.4 11.3 41.9 133 133 A I E +I 128 0A 13 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.889 33.4 176.0-108.2 146.1 19.3 12.6 38.3 134 134 A Q E +I 127 0A 114 -7,-2.6 -7,-3.1 -2,-0.4 3,-0.2 -0.910 53.0 31.3-140.6 167.2 22.2 14.6 36.8 135 135 A A E - 0 0 46 -2,-0.3 2,-0.6 -9,-0.2 -1,-0.1 0.884 69.4-174.2 50.9 46.6 23.3 16.1 33.4 136 136 A V E - 0 0 22 -10,-0.2 -10,-0.2 -3,-0.1 -1,-0.2 -0.626 15.0-141.3 -74.7 117.7 19.7 16.9 32.5 137 137 A E E S+I 125 0A 119 -12,-3.0 -12,-2.6 -2,-0.6 2,-0.2 -0.962 88.2 22.8-137.8 117.9 19.8 18.2 29.0 138 138 A P S > S- 0 0 55 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.588 94.0-138.2 -71.1 159.8 18.0 20.4 28.2 139 139 A A T 3 S+ 0 0 79 1,-0.3 -2,-0.1 -2,-0.2 -3,-0.1 0.726 96.7 56.8 -65.1 -25.0 17.7 21.5 31.9 140 140 A G T 3 S+ 0 0 44 26,-0.3 28,-0.5 48,-0.1 -1,-0.3 0.138 76.9 157.5 -94.0 20.9 14.0 22.2 31.8 141 141 A M < - 0 0 1 -3,-1.5 48,-2.4 26,-0.2 49,-0.3 -0.071 21.2-162.9 -50.1 142.5 13.0 18.7 30.6 142 142 A A E -RS 165 188B 0 23,-2.2 23,-2.0 46,-0.3 2,-0.4 -0.791 10.8-146.0-127.1 167.5 9.5 17.6 31.3 143 143 A V E -RS 164 187B 0 44,-3.0 44,-2.5 -2,-0.3 2,-0.4 -0.992 12.4-135.9-135.7 140.3 7.4 14.3 31.4 144 144 A S E - S 0 186B 0 19,-1.8 2,-0.3 -2,-0.4 42,-0.2 -0.781 23.0-167.9 -93.0 143.3 3.8 13.6 30.6 145 145 A L E - S 0 185B 1 40,-2.7 40,-2.3 -2,-0.4 2,-0.3 -0.956 8.9-178.1-126.7 146.3 1.7 11.5 32.9 146 146 A V - 0 0 5 -2,-0.3 37,-0.2 38,-0.2 38,-0.1 -0.937 40.2 -93.0-131.7 165.3 -1.6 9.8 32.6 147 147 A L - 0 0 42 35,-2.5 35,-0.1 -2,-0.3 -141,-0.1 -0.666 44.2-126.0 -78.2 119.5 -3.7 7.7 35.0 148 148 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 10,-0.1 -0.254 16.6-127.4 -57.6 149.8 -2.9 4.0 34.5 149 149 A Q - 0 0 111 1,-0.1 3,-0.4 4,-0.1 8,-0.1 -0.927 13.6-140.9-104.4 127.6 -5.9 1.7 33.9 150 150 A E S S+ 0 0 102 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.871 93.6 28.7 -55.3 -52.5 -6.0 -1.3 36.3 151 151 A A S S+ 0 0 92 2,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.530 102.7 93.8 -94.2 -7.2 -7.1 -4.2 34.0 152 152 A A S S- 0 0 16 -3,-0.4 2,-0.3 1,-0.1 -3,-0.1 -0.421 92.4 -85.7 -83.4 160.2 -5.7 -2.9 30.7 153 153 A D > - 0 0 7 1,-0.1 4,-2.0 -2,-0.1 5,-0.3 -0.508 40.2-135.5 -60.8 126.2 -2.3 -3.7 29.2 154 154 A V H >>S+ 0 0 24 -2,-0.3 5,-2.1 1,-0.2 4,-1.9 0.781 97.7 55.0 -62.9 -28.9 0.0 -1.2 30.8 155 155 A R H 4>S+ 0 0 34 3,-0.2 5,-2.2 2,-0.2 -1,-0.2 0.919 112.9 38.9 -72.4 -44.5 1.8 -0.3 27.5 156 156 A Q H 45S+ 0 0 38 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.818 124.9 38.7 -76.6 -29.5 -1.3 0.6 25.5 157 157 A S H <5S+ 0 0 10 -4,-2.0 -2,-0.2 -8,-0.1 -3,-0.2 0.728 137.1 1.9 -94.7 -22.9 -3.0 2.4 28.4 158 158 A F T >X5S+ 0 0 4 -4,-1.9 3,-2.3 -5,-0.3 4,-0.5 0.662 119.6 55.6-127.9 -64.6 -0.0 4.1 30.1 159 159 A C G >4 - 0 0 30 -26,-0.1 4,-2.1 1,-0.1 -25,-0.2 -0.983 66.7-102.9-161.9 166.5 10.4 21.8 28.4 168 168 A V H > S+ 0 0 43 -28,-0.5 4,-2.9 -2,-0.3 5,-0.2 0.929 118.9 49.0 -64.7 -47.0 7.3 22.3 30.6 169 169 A P H > S+ 0 0 91 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.916 112.4 49.1 -59.4 -43.7 5.8 25.1 28.3 170 170 A T H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.921 113.7 46.0 -58.6 -45.4 6.4 22.9 25.2 171 171 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.886 111.0 52.1 -67.7 -39.7 4.8 19.9 26.9 172 172 A E H X S+ 0 0 113 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.897 109.2 50.0 -65.7 -38.5 1.8 22.0 28.1 173 173 A D H X S+ 0 0 79 -4,-2.3 4,-0.5 -5,-0.2 3,-0.4 0.944 112.3 48.1 -61.7 -46.8 1.3 23.3 24.6 174 174 A W H >< S+ 0 0 4 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.921 109.4 54.0 -55.5 -45.1 1.4 19.7 23.4 175 175 A A H >< S+ 0 0 21 -4,-2.9 3,-2.1 1,-0.3 -1,-0.2 0.770 92.6 69.9 -65.9 -27.6 -1.0 18.6 26.1 176 176 A S H 3< S+ 0 0 57 -4,-1.5 -1,-0.3 -3,-0.4 3,-0.2 0.743 100.4 49.9 -63.7 -20.4 -3.7 21.2 25.1 177 177 A K T << S+ 0 0 39 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.138 98.5 73.7-101.4 19.7 -4.3 19.2 22.0 178 178 A H X + 0 0 14 -3,-2.1 3,-0.7 147,-0.1 147,-0.2 -0.420 61.7 160.5-132.7 58.5 -4.6 15.9 23.9 179 179 A Q T 3 + 0 0 118 145,-1.6 3,-0.1 1,-0.2 148,-0.1 -0.175 57.5 39.0 -74.0 169.1 -8.0 15.9 25.7 180 180 A G T 3 S+ 0 0 63 1,-0.2 2,-1.1 146,-0.1 -1,-0.2 0.311 75.3 128.8 71.5 -13.5 -9.8 12.9 27.0 181 181 A L X - 0 0 26 -3,-0.7 3,-2.1 143,-0.2 -1,-0.2 -0.672 69.7-121.3 -70.3 101.2 -6.5 11.4 28.1 182 182 A E T 3 S- 0 0 131 -2,-1.1 -35,-2.5 1,-0.3 -1,-0.1 -0.237 85.3 -4.6 -56.9 119.6 -7.6 10.6 31.7 183 183 A G T 3 S+ 0 0 24 -37,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.728 84.2 178.2 72.0 24.1 -5.5 12.5 34.2 184 184 A L < + 0 0 41 -3,-2.1 2,-0.3 -38,-0.1 -38,-0.2 -0.409 9.8 165.8 -61.1 128.4 -3.1 13.9 31.6 185 185 A A E -S 145 0B 29 -40,-2.3 -40,-2.7 -2,-0.1 2,-0.5 -0.995 32.2-139.5-147.3 147.7 -0.6 16.0 33.4 186 186 A I E +S 144 0B 27 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.2 -0.938 27.7 169.4-109.5 130.6 2.8 17.6 32.7 187 187 A V E -S 143 0B 8 -44,-2.5 -44,-3.0 -2,-0.5 2,-0.1 -0.922 38.3 -98.5-130.5 160.8 5.5 17.6 35.4 188 188 A S E > -S 142 0B 41 -2,-0.3 4,-2.4 -46,-0.2 -46,-0.3 -0.384 39.3-110.2 -69.0 158.8 9.2 18.5 35.4 189 189 A V H > S+ 0 0 0 -48,-2.4 4,-2.1 1,-0.2 5,-0.1 0.833 120.9 58.2 -60.5 -29.0 11.6 15.5 35.1 190 190 A H H > S+ 0 0 110 -49,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 106.7 45.1 -66.2 -43.1 12.5 16.3 38.8 191 191 A E H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.890 112.4 52.5 -68.2 -37.5 8.9 15.8 39.9 192 192 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.883 108.0 51.4 -64.4 -37.6 8.6 12.7 37.8 193 193 A F H X S+ 0 0 19 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.908 108.8 50.5 -65.5 -40.2 11.7 11.3 39.4 194 194 A G H X S+ 0 0 25 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.865 108.5 53.2 -63.9 -36.5 10.2 12.0 42.9 195 195 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.936 106.9 51.7 -60.2 -48.3 7.1 10.2 41.7 196 196 A G H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.866 106.4 55.1 -55.6 -39.3 9.3 7.2 40.8 197 197 A Q H X S+ 0 0 82 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.918 109.4 44.8 -63.5 -45.2 10.9 7.2 44.2 198 198 A E H X S+ 0 0 67 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.910 112.8 52.5 -65.6 -40.3 7.6 7.0 46.0 199 199 A F H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.939 111.0 46.8 -57.2 -49.4 6.4 4.3 43.6 200 200 A N H X S+ 0 0 9 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.886 108.6 55.4 -61.0 -40.0 9.6 2.3 44.3 201 201 A R H X S+ 0 0 121 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.930 113.7 40.4 -61.2 -44.9 9.2 2.7 48.1 202 202 A H H X S+ 0 0 69 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.848 115.7 51.3 -70.8 -37.1 5.7 1.2 48.0 203 203 A L H >< S+ 0 0 3 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.933 110.2 47.5 -67.3 -46.1 6.6 -1.4 45.5 204 204 A L H >< S+ 0 0 76 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.780 101.6 65.3 -68.0 -27.3 9.7 -2.7 47.4 205 205 A Q H 3< S+ 0 0 134 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.796 96.0 59.0 -66.3 -23.9 7.7 -2.8 50.6 206 206 A T T << S+ 0 0 74 -3,-1.0 -1,-0.3 -4,-0.7 -187,-0.2 0.406 84.5 107.6 -85.2 2.2 5.6 -5.5 49.0 207 207 A M < 0 0 61 -3,-1.7 -187,-0.0 1,-0.1 -3,-0.0 -0.460 360.0 360.0 -80.5 157.0 8.6 -7.8 48.5 208 208 A S 0 0 140 -2,-0.1 -1,-0.1 -189,-0.0 -2,-0.0 -0.181 360.0 360.0 -61.5 360.0 9.1 -10.9 50.7 209 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 210 1 B M 0 0 114 0, 0.0 2,-0.6 0, 0.0 178,-0.0 0.000 360.0 360.0 360.0 105.0 -2.5 14.8 -1.1 211 2 B K - 0 0 177 1,-0.1 4,-0.2 2,-0.0 0, 0.0 -0.824 360.0-171.8 -88.3 120.2 -0.1 12.8 -3.2 212 3 B L >> + 0 0 27 -2,-0.6 4,-2.3 1,-0.2 3,-0.7 0.463 55.2 102.9 -96.8 -1.4 0.3 9.5 -1.5 213 4 B A H 3> S+ 0 0 66 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.886 79.7 52.9 -50.3 -46.7 3.1 8.0 -3.7 214 5 B P H 3> S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.897 111.2 48.0 -59.0 -36.7 5.9 8.8 -1.1 215 6 B Y H <> S+ 0 0 20 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.913 111.5 47.8 -69.6 -44.4 3.9 6.9 1.6 216 7 B I H X S+ 0 0 21 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.918 114.0 50.6 -58.1 -43.6 3.2 3.9 -0.6 217 8 B L H X S+ 0 0 101 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.953 112.4 42.4 -61.8 -53.7 6.8 3.9 -1.5 218 9 B E H X S+ 0 0 68 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.831 114.0 54.1 -67.0 -31.2 8.2 4.0 2.0 219 10 B L H < S+ 0 0 25 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.948 109.8 44.6 -64.1 -52.7 5.6 1.5 3.2 220 11 B L H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 114.8 50.4 -61.4 -34.0 6.5 -1.1 0.6 221 12 B T H < 0 0 100 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.845 360.0 360.0 -75.5 -33.6 10.2 -0.5 1.3 222 13 B S < 0 0 89 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.892 360.0 360.0 -82.1 360.0 9.6 -0.8 5.1 223 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 224 19 B G > 0 0 45 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -36.2 10.6 -13.5 0.4 225 20 B T H > + 0 0 79 1,-0.2 4,-2.3 2,-0.2 3,-0.2 0.880 360.0 46.0 -61.4 -43.0 8.8 -11.0 2.8 226 21 B A H > S+ 0 0 39 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.873 109.8 54.6 -68.7 -38.1 5.6 -10.6 0.8 227 22 B D H 4 S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.799 114.3 41.7 -65.1 -29.0 5.1 -14.3 0.2 228 23 B L H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.864 105.6 65.1 -84.6 -38.0 5.4 -14.9 3.9 229 24 B L H X S+ 0 0 26 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.912 98.8 47.6 -54.4 -57.1 3.3 -12.0 5.1 230 25 B V H X S+ 0 0 15 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.938 114.1 46.0 -56.1 -51.2 -0.2 -12.9 3.6 231 26 B P H > S+ 0 0 24 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.886 113.0 51.8 -57.8 -39.9 -0.1 -16.6 4.9 232 27 B L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.937 109.8 47.9 -63.1 -48.3 1.1 -15.4 8.3 233 28 B L H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.894 110.9 52.0 -56.5 -43.6 -1.7 -12.9 8.6 234 29 B R H < S+ 0 0 130 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 113.1 44.6 -64.2 -36.3 -4.3 -15.5 7.6 235 30 B E H ><>S+ 0 0 40 -4,-2.0 3,-1.7 -5,-0.2 5,-0.6 0.900 111.8 51.7 -71.4 -43.1 -3.0 -17.9 10.2 236 31 B L H ><5S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 -2,-0.2 0.850 97.5 68.8 -62.6 -31.3 -2.8 -15.1 12.9 237 32 B A T 3<5S+ 0 0 14 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.658 85.0 70.7 -62.5 -14.8 -6.4 -14.3 12.0 238 33 B K T < 5S- 0 0 86 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.583 111.6-120.4 -79.6 -10.8 -7.4 -17.7 13.6 239 34 B G T < 5S+ 0 0 24 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